Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, trans- (9CI) |
EINECS | N/A |
CAS No. | 30825-34-4 | Density | 1.371 g/cm3 |
PSA | 49.81000 | LogP | 2.74048 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5F3N2 | Boiling Point | 279.316 °C at 760 mmHg |
Molecular Weight | 301.366 | Flash Point | 122.726 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-, trans- (8CI); |
Article Data | 9 |
The 1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, trans- (9CI), with the CAS registry number 30825-34-4, is also known as Benzonitrile, 3-amino-5-(trifluoromethyl)-. This chemical's molecular formula is C8H5F3N2 and molecular weight is 186.1339. Its systematic name is called 3-amino-5-(trifluoromethyl)benzonitrile.
Physical properties of 1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, trans- (9CI): (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 87; (5)ACD/BCF (pH 7.4): 87; (6)ACD/KOC (pH 5.5): 850; (7)ACD/KOC (pH 7.4): 850; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.5; (12)Molar Refractivity: 39.928 cm3; (13)Molar Volume: 135.773 cm3; (14)Surface Tension: 40.713 dyne/cm; (15)Density: 1.371 g/cm3; (16)Flash Point: 122.726 °C; (17)Enthalpy of Vaporization: 51.799 kJ/mol; (18)Boiling Point: 279.316 °C at 760 mmHg; (19)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(N)c1)C#N
(2)InChI: InChI=1/C8H5F3N2/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-3H,13H2
(3)InChIKey: UMUDGXVSXIXLCF-UHFFFAOYAY